Benzene, 1-(bromoethynyl)-4-nitro-

Base Information

• Chemical Name: Benzene, 1-(bromoethynyl)-4-nitro-
• CAS No.: 940-13-6
• Molecular Formula: C8H4 Br N O2
• Molecular Weight: 226.029
• Hs Code.: 2904909090
• Mol file: 940-13-6.mol

Synonyms:Benzene,1-(bromoethynyl)-4-nitro- (7CI,8CI,9CI); (4-Nitrophenyl)ethynyl bromide;1-(Bromoethynyl)-4-nitrobenzene; 1-Bromo-2-(p-nitrophenyl)acetylene;4-(Bromoethynyl)nitrobenzene; Bromo(4-nitrophenyl)acetylene

Chemical Property of Benzene, 1-(bromoethynyl)-4-nitro-

Chemical Property:

• Melting Point: 175 °C (ethyl acetate)
• Boiling Point: 315.5±44.0 °C (760 mmHg)
• PSA: 45.82000
• Density: 1.71±0.1 g/cm3 (20 °C, 760 mmHg)
• LogP: 2.82190

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzene, 1-(bromoethynyl)-4-nitro-

There total 12 articles about Benzene, 1-(bromoethynyl)-4-nitro- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

(4-Nitrophenyl)acetylene (937-31-5) → 1-(2-bromoethynyl)-4-nitrobenzene (940-13-6)

Guidance literature:

With N-Bromosuccinimide; silver nitrate; In acetone; at 20 ℃; Darkness;

DOI:10.1002/chem.201902213

Reference yield: 83.0%

3-(4-nitrophenyl)-2-propynoic acid (2216-24-2) → 1-(2-bromoethynyl)-4-nitrobenzene (940-13-6)

Guidance literature:

With dibromamine-T; 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃;

DOI:10.1016/j.tetlet.2018.11.041

Reference yield: 75.0%

4-nitro-1-(trimethylsilylethynyl)benzene (75867-38-8) → 1-(2-bromoethynyl)-4-nitrobenzene (940-13-6)

Guidance literature:

With potassium fluoride; N-Bromosuccinimide; silver nitrate; In water; acetonitrile; at 20 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1021/om501105w

upstream raw materials:

(4-Nitrophenyl)acetylene

3-nitrophenylacetylene

Bromoform

1-bromomethyl-4-nitro-benzene

Downstream raw materials:

5-(p-Nitrophenyl)-penta-2,4-diinal-diethylacetal

5-(p-Nitro-phenyl)-pentadiin-(2.4)-saeure

1-(p-Nitrophenylethynyl)aziridine

C₁₂H₁₃N₃O₂